3-Bromoquinoline → HCID 178519901, 화합물
반응식
Brc1cnc2ccccc2c1.OCc1cocn1>O=S(=O)([O-][Pd+2]1([C-]=2C=CC=CC2C=3C=CC=CC3[NH2]1)[P](C4=C(C=5C(=CC(=CC5C(C)C)C(C)C)C(C)C)C(=C(C(=C4C)C)C)C)(C(C)(C)C)C(C)(C)C)C.C(=O)([O-])[O-].[Cs+].[Cs+].C1COCCO1.[Cu]Br.CSC>OCc1coc(-c2cnc3ccccc3c2)n1.OCc1ncoc1-c1cnc2ccccc2c1.OCc1nc(-c2cnc3ccccc3c2)oc1-c1cnc2ccccc2c1참가 물질
9
반응물 2
생성물 3
시약·촉매·용매 4
반응 조건
- 온도
- 100 °C
실험 절차
- reaction input `pd_catalyst` was added as a solution (2-methyltetrahydrofuran 1 mmol/L) and then the solvent was removed to leave solid solute before adding other reactants/reagents; - stirrer was added after `pd_catalyst` and before `base`; - reaction inputs were prepared inside a glove box but the reaction itself did not happen in a glove box; - the reaction vial was sealed after adding all reaction inputs
후처리
- temperatureThe reactions were then allowed to cool to room temperature
- additionEach reaction vial was diluted with 500 uL of a pre-prepared solution consisting of 1 umol dibenzylaniline (labelled as an internal standard for the purposes of PyParse analysis) and 20 umol dimethylsulfoxide in acetonitrile.
- stirringThe reactions were sealed and shaken to ensure a homogenous mixture.
- aliquot50 uL of each reaction mixture was then aspirated and dispensed to the analysis plate.
- additionEach well of the analysis plate was diluted with 150 uL of dimethylsulfoxide, and the analysis plate was sealed with polypropylene film.
출처 및 근거
- ORD 기록
- ord-185a58720cdb4417ab5c4eb35dc52b68
- 출처 데이터셋
- C-H activation of oxazoles from the second demo case in the PyParser paper
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